UCSF

ZINC34974057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.37 0.99 -54.89 1 5 -1 82 196.182 5
Mid Mid (pH 6-8) 0.37 1.41 -39.64 2 5 0 84 197.19 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )